Crystallography Open Database

Information card for entry 1516935

Preview

Coordinates	1516935.cif

Structure parameters

Formula	C22 H35 Cl2 N O3 Sn
Calculated formula	C22 H35 Cl2 N O3 Sn
SMILES	[Sn](OC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1)(CCCC)(CCCC)CCCC
Title of publication	Synthesis, spectroscopic characterization, X-ray structure and biological screenings of organotin(IV) 3-[(3,5-dichlorophenylamido)]propanoates
Authors of publication	Farooq Ali Shah; Muhammad Sirajuddin; Saqib Ali; Syed Mustansar Abbas; Muhammad Nawaz Tahir; Corrado Rizzoli
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	159 - 162
a	47.1867 ± 0.0014 Å
b	10.1593 ± 0.0003 Å
c	25.3842 ± 0.0008 Å
α	90°
β	120.001 ± 0.002°
γ	90°
Cell volume	10538.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516935.cif
129076	2014-12-26	Fixing formulae and Z values for several entries	1516935.cif
119704	2014-07-08	cif/ Adding structures of 1516935 via cif-deposit CGI script.	1516935.cif